(6aR)-7-ethyl-N-pentyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide

C25H37N3O — CID 173375710

IUPAC(6aR)-7-ethyl-N-pentyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILESCCCCCNC(=O)C1CC2c3cccc4c3c(cn4C(C)C)C[C@H]2N(CC)C1
InChIInChI=1S/C25H37N3O/c1-5-7-8-12-26-25(29)19-13-21-20-10-9-11-22-24(20)18(16-28(22)17(3)4)14-23(21)27(6-2)15-19/h9-11,16-17,19,21,23H,5-8,12-15H2,1-4H3,(H,26,29)/t19?,21?,23-/m1/s1
InChIKeyXUEHGHUOCFHAEA-POOLCLQXSA-N
MW395.59 g/mol
LogP4.88
Rot. Bonds7

About (6aR)-7-ethyl-N-pentyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide

(6aR)-7-ethyl-N-pentyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 173375710) has the molecular formula C25H37N3O and a molecular weight of 395.59 g/mol. Its IUPAC name is (6aR)-7-ethyl-N-pentyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name(6aR)-7-ethyl-N-pentyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
PubChem CID173375710
Molecular FormulaC25H37N3O
Molecular Weight395.59 g/mol
Exact Mass395.29
IUPAC Name(6aR)-7-ethyl-N-pentyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILESCCCCCNC(=O)C1CC2c3cccc4c3c(cn4C(C)C)C[C@H]2N(CC)C1
InChIInChI=1S/C25H37N3O/c1-5-7-8-12-26-25(29)19-13-21-20-10-9-11-22-24(20)18(16-28(22)17(3)4)14-23(21)27(6-2)15-19/h9-11,16-17,19,21,23H,5-8,12-15H2,1-4H3,(H,26,29)/t19?,21?,23-/m1/s1
InChIKeyXUEHGHUOCFHAEA-POOLCLQXSA-N
XLogP4.88
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.59
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (6aR)-7-ethyl-N-pentyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide with MolForge

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Related Compounds

(6aR,10aR)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid
CID 57193212
cyclohexyl (6aR,9R)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate;hydrochloride
CID 67833447
(6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;hydrochloride
CID 70365367
(6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(pyridin-3-ylmethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 14653085
(6aR,9R,10aR)-N-cyclooctyl-7-methyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 67875562
(6aS,9S,10aR)-N-(2-hydroxycyclopentyl)-7-methyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 67750439
(6aR,9S,10aR)-N-(2-hydroxycyclopentyl)-7-methyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid
CID 158935179
2-oxopropyl (6aR,9R)-4,7-diethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate
CID 22839906
[(6aR,9R,10aR)-9-[3-(dimethylamino)propylcarbamoyl]-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-4-yl] N-ethylmethanimidate
CID 59841565
2-(oxolan-2-yl)propyl (6aR,10aR)-4-propan-2-yl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate;hydrobromide
CID 70430241
(6aR,9R,10aR)-N-cyclohexyl-7-methyl-4-propan-2-yl-N-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 139726927
(6aR,9R)-4-butyl-N-cycloheptyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 54019048

Frequently Asked Questions

What is the IUPAC name of (6aR)-7-ethyl-N-pentyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of (6aR)-7-ethyl-N-pentyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide (CID 173375710) is (6aR)-7-ethyl-N-pentyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for (6aR)-7-ethyl-N-pentyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for (6aR)-7-ethyl-N-pentyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide is CCCCCNC(=O)C1CC2c3cccc4c3c(cn4C(C)C)C[C@H]2N(CC)C1.
What is the InChIKey of (6aR)-7-ethyl-N-pentyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is XUEHGHUOCFHAEA-POOLCLQXSA-N. The full InChI is InChI=1S/C25H37N3O/c1-5-7-8-12-26-25(29)19-13-21-20-10-9-11-22-24(20)18(16-28(22)17(3)4)14-23(21)27(6-2)15-19/h9-11,16-17,19,21,23H,5-8,12-15H2,1-4H3,(H,26,29)/t19?,21?,23-/m1/s1.
What are the key properties of (6aR)-7-ethyl-N-pentyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
(6aR)-7-ethyl-N-pentyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 395.59 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-7-ethyl-N-pentyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 173375710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).